SCHEMBL8913273

SCHEMBL8913273

O=S(=O)(O)ONc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.51
KDM4E B2RXH2 4/20 0.49
GAA P10253 2/20 0.49
RECQL P46063 1/20 0.49
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 5/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPT P10636 4/20 0.44
TSHR P16473 2/20 0.44
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28753722 0.79 KEAP1 (0.49) KEAP1KDM4EGAARECQLCYP3A4
SCHEMBL6706563 0.78 RECQL (0.49) KEAP1KDM4EGAARECQLCYP1A2
SCHEMBL8619203 0.76 GAA (0.42) KDM4EGAARECQLNPC1RAB9A
SCHEMBL45616 0.76 KEAP1 (0.67) KEAP1KDM4EGAARECQLCYP1A2
SCHEMBL28700566 0.76 KEAP1 (0.67) KEAP1KDM4EGAARECQLCYP1A2
SCHEMBL11793189 0.76 KEAP1 (0.67) KEAP1KDM4EGAARECQLCYP1A2
SCHEMBL8153407 0.74 ALDH1A1 (0.52) KEAP1KDM4EGAARECQLRAB9A
SCHEMBL11787378 0.74 HTR6 (0.51) KEAP1KDM4EGAARECQLCYP1A2
SCHEMBL28087177 0.74 ALDH1A1 (0.54) KEAP1KDM4EGAARECQLCYP1A2
SCHEMBL4292232 0.74 KDM4E (0.56) KEAP1KDM4EGAACYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5616696-A Azo dyes having utility for ink jet printers TRICON COLORS INCORPORATED (US) 1997-04-01 US claimed
US-5616696-A Azo dyes having utility for ink jet printers TRICON COLORS INCORPORATED (US) 1997-04-01 US disclosed
US-5616696-A Azo dyes having utility for ink jet printers TRICON COLORS INCORPORATED (US) 1997-04-01 US disclosed
WO-1994013277-A2 USE OF DINAPHTHALENES COMPOUNDS AS ANTIPROLIFERATIVE AGENTS IMPERIAL CANCER RESEARCH TECHNOLOGY LIMITED (GB) 1994-06-23 WO disclosed